The Story of Typos, Inconsistencies,
Misassignments and Structure Revisions
A Critical View on Published NMR-Data,
Representing our Reference Material for Upcoming Conclusions


Recommended
Literature

 Natural Product Reports 
(2018)

 NPS Data Hub 
(2018)

 NMReDATA 
(2018)

 Natural Products 
(2017)

 Robot-Referee 
(2016)

 EuJOC 
(2014)

 Quality versus Impactfactor 
(2009)




More to come - stay tuned


Publications analyzed in detail

June 22nd, 2018   Five publications involved:

  See Details
Details
  • A "well-hidden" structure revision: Hydantoins versus Diazepinediones
  • A very questionable style of error-handling of an error which might happen to everybody
  • Compare the excellent error-handling in the case of aglalactone as summarized in the row below
June 16th, 2018   J.Nat.Prod.,61,1482(1998)

  Mh.Chem.,131,1161(2000)
Aglalactone
(original)

Aglalactone
(corrected)
  • The error shown in the first structure proposal is trivial to detect and can be avoided
  • The correction is clearly marked as a structure revision
  • Errors might happen - the style of error-handling is excellent

    • The Title: "Corrected Structure of Aglalactone Isolated from Aglaia elaeagnoidea"
    • The Summary: "The structure of aglalactone [...] was revised on the basis of 2D NMR data [...]"
June 14th, 2018   Can.J.Chem.,77,146(1999)
   Compound 8   
  • The signal at 53,27ppm given for the quaternary carbon of the tBu-group of the tert-butyldimethylsilyl protecting group is wrong.
  • The expectation range is somewhere between 18 and 19 ppm.
  • A more detailed look into the experimental part shows that the workup was done using a CH2Cl2 - petroleum ether mixture.
  • The signal of 53,27ppm can be explained by a trace of CH2Cl2 contained in the final product
June 12th, 2018   Chem.Pharm.Bull.,62,937(2014)
  Erratum available (Published 01-July-2018)
   Details   
  • Kiusianin A has a minor assignment error
  • Kiusianin B seems to be correct
  • Kiusianin C has to be revised - proposal given
  • Kiusianin D has to be revised - proposal given



Page written on: Jun 12th, 2018
Page written by: Wolfgang Robien
Wolfgang.Robien(at)univie.ac.at
Last Update: see table above



History of this webpage

Date

Activity & Remarks

Jun 12th, 2018Webpage online; for updates see table above